243476

Source:http://linkedlifedata.com/resource/chembl/compound/243476

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C18H22IN3O2S/c1-23-17-10-14(4-7-16(17)24-9-8-20)12-22-18(25)21-11-13-2-5-15(19)6-3-13/h2-7,10H,8-9,11-12,20H2,1H3,(H2,21,22,25)
chemicalCompound:standardIn...	SAZYOKSJOIYMHA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(C\N=C(/S)\NCc2ccc(I)cc2)ccc1OCCN
chemicalCompound:molecularF...	C18 H22 I N3 O2 S
chemicalCompound:moleculeId	243476
chemicalCompound:mwFreebase	471.356
chemicalCompound:alogp	3.537
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	107.67
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.088
chemicalCompound:acdLogD	-0.162
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	471.356
chemicalCompound:acdMostBpk...	13.767
chemicalCompound:chemblId	CHEMBL356081
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:343476
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:976490